SCHEMBL25338102

SCHEMBL25338102

CN1CCOc2ccc(-c3cccnc3Sc3ccc(C(F)(F)F)cc3)cc2S1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR142 Q7Z601 6/20 0.37
▸ KCNH2 Q12809 4/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ SCN1A P35498 1/20 0.33
▸ SCN4A P35499 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BACE1 P56817 5/20 0.32
▸ CTSD P07339 3/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25339990 0.88 GPR142 (0.36) GPR142KCNH2CYP2D6CYP2C9CYP3A4
SCHEMBL30544079 0.88 GPR142 (0.36) GPR142KCNH2CYP2D6CYP2C9CYP3A4
SCHEMBL25340004 0.83 PDE10A (0.40) GPR142KCNH2CYP2D6CYP2C9CYP3A4
SCHEMBL25955589 0.83 ATM (0.39) KCNH2SCN1ASCN4ASCN5ASCN9A
SCHEMBL25341998 0.81 BACE1 (0.43) BACE1CTSDCTSB
SCHEMBL25955585 0.79 GPR142 (0.34) GPR142KCNH2CYP2D6CYP2C9CYP3A4
SCHEMBL30543994 0.74 SCN9A (0.35) GPR142KCNH2CYP2D6CYP2C9CYP3A4
SCHEMBL25340424 0.74 SCN9A (0.35) GPR142KCNH2CYP2D6CYP2C9CYP3A4
SCHEMBL25952094 0.73 PDE10A (0.40) KCNH2SCN1ASCN4ASCN5ASCN9A
SCHEMBL25374988 0.72 ADORA2A (0.44) KCNH2DRD1CREBBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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